5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole

C26H24ClFN4O3 — CID 135298104

IUPAC5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@H]4CCOC4)nc3)c2c1
InChIInChI=1S/C26H24ClFN4O3/c1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b22-10-/t16-,19+/m1/s1
InChIKeyHQPFEOJETBUZDY-LLRAGKKVSA-N
MW494.95 g/mol
LogP6.09
Rot. Bonds7

About 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole

5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole (PubChem CID 135298104) has the molecular formula C26H24ClFN4O3 and a molecular weight of 494.95 g/mol. Its IUPAC name is 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole
PubChem CID135298104
Molecular FormulaC26H24ClFN4O3
Molecular Weight494.95 g/mol
Exact Mass494.15
IUPAC Name5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@H]4CCOC4)nc3)c2c1
InChIInChI=1S/C26H24ClFN4O3/c1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b22-10-/t16-,19+/m1/s1
InChIKeyHQPFEOJETBUZDY-LLRAGKKVSA-N
XLogP6.09
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
The IUPAC name of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole (CID 135298104) is 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
The canonical SMILES for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole is Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@H]4CCOC4)nc3)c2c1.
What is the InChIKey of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
The InChIKey is HQPFEOJETBUZDY-LLRAGKKVSA-N. The full InChI is InChI=1S/C26H24ClFN4O3/c1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b22-10-/t16-,19+/m1/s1.
What are the key properties of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole has a molecular weight of 494.95 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole is sourced from PubChem (CID 135298104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).